Metabolite Indapamide metabolite M6
- Name
- Indapamide metabolite M6
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 399.849
Monoisotopic: 399.065569098 - Chemical Formula
- C16H18ClN3O5S
- InChI Key
- CZPZKXRBEJAROA-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H18ClN3O5S/c1-8-6-10-12(4-5-13(21)15(10)22)20(8)19-16(23)9-2-3-11(17)14(7-9)26(18,24)25/h2-5,7-8,13,15,21-22H,6H2,1H3,(H,19,23)(H2,18,24,25)
- IUPAC Name
- 4-chloro-N-(4,5-dihydroxy-2-methyl-2,3,4,5-tetrahydro-1H-indol-1-yl)-3-sulfamoylbenzamide
- SMILES
- CC1CC2=C(C=CC(O)C2O)N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O
- Reactions
- Indapamide Indapamide epoxide intermediate
- Indapamide epoxide intermediate Indapamide metabolite M6
- Indapamide epoxide intermediate Indapamide glutathione conjugate M7
- Indapamide Indapamide epoxide intermediate
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 184.2503 predictedDeepCCS 1.0 (2019) [M+H]+ 186.60832 predictedDeepCCS 1.0 (2019) [M+Na]+ 193.3991 predictedDeepCCS 1.0 (2019) - External Links
- ChEBI
- 143389
- Predicted Properties
Property Value Source Water Solubility 1.78 mg/mL ALOGPS logP 0.48 ALOGPS logP -0.8 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 8.85 Chemaxon pKa (Strongest Basic) 0.54 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 132.96 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 98.35 m3·mol-1 Chemaxon Polarizability 38.44 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon